REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1ojg_1_A DATA FIRST_RESID 45 DATA SEQUENCE SDMTRDGLAN KALAVARTLA DSPEIRQGLQ KKPQESGIQA IAEAVRKRND DATA SEQUENCE LLFIVVTDMQ SLRYSHPEAQ RIGQPFKGDD ILKALNGEEN VAINRGFLAQ DATA SEQUENCE ALRVFTPIYD ENHKQIGVVA IGLELSRVTQ QINDSR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 45 S HA 0.000 4.468 4.470 -0.004 0.000 0.327 45 S C 0.000 174.593 174.600 -0.012 0.000 1.055 45 S CA 0.000 58.195 58.200 -0.009 0.000 1.107 45 S CB 0.000 63.199 63.200 -0.001 0.000 0.593 46 D N 3.322 123.716 120.400 -0.010 0.000 2.087 46 D HA -0.108 4.527 4.640 -0.008 0.000 0.201 46 D C 1.514 177.804 176.300 -0.016 0.000 0.980 46 D CA 2.718 56.712 54.000 -0.010 0.000 0.849 46 D CB -0.186 40.610 40.800 -0.007 0.000 1.001 46 D HN 0.083 8.448 8.370 -0.008 0.000 0.452 47 M N -0.585 119.005 119.600 -0.017 0.000 2.113 47 M HA -0.458 4.012 4.480 -0.017 0.000 0.255 47 M C 1.210 177.493 176.300 -0.029 0.000 1.073 47 M CA 4.389 59.677 55.300 -0.021 0.000 1.091 47 M CB -0.049 32.538 32.600 -0.021 0.000 1.309 47 M HN 0.275 8.556 8.290 -0.014 0.000 0.407 48 T N -2.482 112.049 114.554 -0.038 0.000 2.759 48 T HA -0.378 3.937 4.350 -0.058 0.000 0.269 48 T C 1.811 176.482 174.700 -0.048 0.000 1.042 48 T CA 3.375 65.443 62.100 -0.054 0.000 1.140 48 T CB -0.382 68.443 68.868 -0.072 0.000 0.864 48 T HN -0.029 8.190 8.240 -0.036 0.000 0.455 49 R N -0.620 119.859 120.500 -0.035 0.000 2.159 49 R HA -0.368 3.956 4.340 -0.027 0.000 0.249 49 R C 1.483 177.768 176.300 -0.025 0.000 1.136 49 R CA 3.351 59.436 56.100 -0.026 0.000 0.951 49 R CB -0.252 30.040 30.300 -0.014 0.000 0.876 49 R HN -0.306 7.817 8.270 -0.031 0.129 0.440 50 D N -3.434 116.953 120.400 -0.023 0.000 2.214 50 D HA 0.072 4.702 4.640 -0.016 0.000 0.217 50 D C 1.878 178.163 176.300 -0.025 0.000 0.973 50 D CA 2.382 56.370 54.000 -0.020 0.000 0.880 50 D CB 0.383 41.174 40.800 -0.015 0.000 1.031 50 D HN -0.706 7.644 8.370 -0.022 0.006 0.468 51 G N -1.165 107.617 108.800 -0.029 0.000 2.395 51 G HA2 -0.097 3.844 3.960 -0.032 0.000 0.214 51 G HA3 -0.097 3.846 3.960 -0.028 0.000 0.214 51 G C 0.978 175.851 174.900 -0.045 0.000 1.177 51 G CA 1.578 46.658 45.100 -0.033 0.000 0.794 51 G HN -0.463 7.810 8.290 -0.029 0.000 0.532 52 L N 1.438 122.626 121.223 -0.057 0.000 2.042 52 L HA -0.320 3.973 4.340 -0.079 0.000 0.210 52 L C 2.003 178.829 176.870 -0.073 0.000 1.076 52 L CA 2.779 57.572 54.840 -0.078 0.000 0.749 52 L CB -0.426 41.571 42.059 -0.104 0.000 0.893 52 L HN -0.599 7.504 8.230 -0.054 0.094 0.432 53 A N -1.558 121.227 122.820 -0.058 0.000 1.859 53 A HA -0.499 3.785 4.320 -0.060 0.000 0.217 53 A C 1.774 179.333 177.584 -0.041 0.000 1.198 53 A CA 3.240 55.248 52.037 -0.048 0.000 0.629 53 A CB -0.940 18.043 19.000 -0.029 0.000 0.830 53 A HN -0.228 7.897 8.150 -0.052 -0.006 0.446 54 N N -2.025 116.656 118.700 -0.032 0.000 2.081 54 N HA -0.190 4.538 4.740 -0.020 0.000 0.191 54 N C 2.064 177.555 175.510 -0.031 0.000 1.053 54 N CA 2.659 55.694 53.050 -0.025 0.000 0.846 54 N CB -0.251 38.225 38.487 -0.019 0.000 1.032 54 N HN -0.440 7.921 8.380 -0.030 0.000 0.431 55 K N -0.311 120.069 120.400 -0.034 0.000 2.089 55 K HA -0.371 3.932 4.320 -0.029 0.000 0.210 55 K C 2.120 178.693 176.600 -0.045 0.000 1.048 55 K CA 3.300 59.566 56.287 -0.036 0.000 0.926 55 K CB -0.145 32.333 32.500 -0.037 0.000 0.714 55 K HN 0.341 8.496 8.250 -0.032 0.076 0.448 56 A N -2.447 120.337 122.820 -0.059 0.000 2.030 56 A HA -0.066 4.214 4.320 -0.066 0.000 0.215 56 A C 1.707 179.252 177.584 -0.066 0.000 1.164 56 A CA 2.455 54.449 52.037 -0.073 0.000 0.697 56 A CB -0.424 18.514 19.000 -0.104 0.000 0.827 56 A HN -0.400 7.588 8.150 -0.062 0.125 0.457 57 L N 0.177 121.365 121.223 -0.058 0.000 2.017 57 L HA -0.292 4.014 4.340 -0.057 0.000 0.208 57 L C 2.233 179.084 176.870 -0.032 0.000 1.073 57 L CA 2.664 57.475 54.840 -0.047 0.000 0.745 57 L CB -0.480 41.559 42.059 -0.034 0.000 0.894 57 L HN -0.788 7.323 8.230 -0.055 0.086 0.432 58 A N -0.785 122.019 122.820 -0.026 0.000 1.877 58 A HA -0.257 4.056 4.320 -0.011 0.000 0.216 58 A C 1.913 179.486 177.584 -0.018 0.000 1.186 58 A CA 3.188 55.215 52.037 -0.017 0.000 0.620 58 A CB -0.565 18.426 19.000 -0.016 0.000 0.822 58 A HN 0.099 8.232 8.150 -0.029 0.000 0.443 59 V N -2.044 117.856 119.914 -0.025 0.000 2.591 59 V HA -0.280 3.831 4.120 -0.016 0.000 0.249 59 V C 1.388 177.467 176.094 -0.024 0.000 1.053 59 V CA 2.936 65.223 62.300 -0.022 0.000 1.068 59 V CB -0.436 31.372 31.823 -0.025 0.000 0.689 59 V HN -0.810 7.362 8.190 -0.030 0.000 0.462 60 A N -0.196 122.604 122.820 -0.034 0.000 2.019 60 A HA -0.263 4.037 4.320 -0.033 0.000 0.219 60 A C 1.702 179.271 177.584 -0.025 0.000 1.164 60 A CA 2.964 54.979 52.037 -0.037 0.000 0.644 60 A CB -0.765 18.201 19.000 -0.057 0.000 0.805 60 A HN -0.222 7.885 8.150 -0.039 0.019 0.449 61 R N -4.201 116.287 120.500 -0.019 0.000 2.236 61 R HA -0.113 4.223 4.340 -0.006 0.000 0.208 61 R C 1.508 177.807 176.300 -0.001 0.000 1.036 61 R CA 2.313 58.409 56.100 -0.007 0.000 1.001 61 R CB -0.090 30.209 30.300 -0.001 0.000 0.896 61 R HN -0.348 7.824 8.270 -0.022 0.085 0.464 62 T N 0.351 114.903 114.554 -0.003 0.000 2.812 62 T HA -0.212 4.140 4.350 0.004 0.000 0.264 62 T C 0.654 175.356 174.700 0.004 0.000 1.042 62 T CA 3.333 65.434 62.100 0.001 0.000 1.140 62 T CB 0.281 69.149 68.868 -0.001 0.000 0.870 62 T HN -0.249 7.818 8.240 -0.008 0.167 0.445 63 L N -2.569 118.656 121.223 0.003 0.000 2.202 63 L HA 0.041 4.388 4.340 0.011 0.000 0.205 63 L C 2.398 179.274 176.870 0.010 0.000 1.083 63 L CA 1.055 55.900 54.840 0.008 0.000 0.790 63 L CB -1.033 41.030 42.059 0.008 0.000 0.942 63 L HN -0.765 7.464 8.230 -0.002 0.000 0.452 64 A N -0.217 122.604 122.820 0.002 0.000 2.178 64 A HA -0.288 4.034 4.320 0.005 0.000 0.218 64 A C 0.426 178.016 177.584 0.011 0.000 1.157 64 A CA 2.820 54.857 52.037 0.001 0.000 0.689 64 A CB -0.611 18.381 19.000 -0.015 0.000 0.787 64 A HN -0.043 8.002 8.150 -0.003 0.103 0.465 65 D N -5.671 114.737 120.400 0.013 0.000 2.354 65 D HA 0.037 4.692 4.640 0.024 0.000 0.209 65 D C 0.338 176.650 176.300 0.019 0.000 1.015 65 D CA 0.427 54.438 54.000 0.019 0.000 0.867 65 D CB 0.501 41.311 40.800 0.017 0.000 0.933 65 D HN -0.419 7.845 8.370 0.009 0.112 0.520 66 S N 0.352 116.063 115.700 0.018 0.000 2.463 66 S HA -0.018 4.462 4.470 0.017 0.000 0.241 66 S C -0.428 174.185 174.600 0.022 0.000 1.299 66 S CA 0.249 58.460 58.200 0.019 0.000 0.979 66 S CB -0.360 62.850 63.200 0.018 0.000 0.950 66 S HN -0.058 8.060 8.310 0.016 0.202 0.516 67 P HA 0.215 4.649 4.420 0.025 0.000 0.225 67 P C 0.499 177.815 177.300 0.027 0.000 1.142 67 P CA 1.341 64.455 63.100 0.024 0.000 0.894 67 P CB 1.364 33.076 31.700 0.020 0.000 0.895 68 E N -0.703 119.513 120.200 0.028 0.000 2.233 68 E HA -0.393 3.975 4.350 0.031 0.000 0.199 68 E C 1.037 177.662 176.600 0.043 0.000 1.004 68 E CA 2.593 59.013 56.400 0.034 0.000 0.819 68 E CB -1.462 28.258 29.700 0.034 0.000 0.738 68 E HN 0.384 8.759 8.360 0.025 0.000 0.478 69 I N -1.788 118.806 120.570 0.041 0.000 2.036 69 I HA -0.470 3.734 4.170 0.055 0.000 0.231 69 I C 2.030 178.174 176.117 0.045 0.000 1.044 69 I CA 1.996 63.322 61.300 0.044 0.000 1.315 69 I CB -1.275 36.743 38.000 0.031 0.000 1.051 69 I HN -0.408 7.793 8.210 0.035 0.030 0.391 70 R N -0.036 120.486 120.500 0.037 0.000 2.154 70 R HA -0.470 3.892 4.340 0.036 0.000 0.248 70 R C 2.110 178.434 176.300 0.040 0.000 1.155 70 R CA 3.318 59.440 56.100 0.037 0.000 0.979 70 R CB -0.466 29.855 30.300 0.035 0.000 0.869 70 R HN 0.198 8.489 8.270 0.034 0.000 0.452 71 Q N -3.454 116.370 119.800 0.040 0.000 2.435 71 Q HA -0.141 4.221 4.340 0.035 0.000 0.207 71 Q C 1.209 177.238 176.000 0.050 0.000 0.956 71 Q CA 1.727 57.553 55.803 0.039 0.000 0.917 71 Q CB 0.000 28.758 28.738 0.032 0.000 0.997 71 Q HN -0.560 7.703 8.270 0.038 0.029 0.497 72 G N -0.933 107.907 108.800 0.067 0.000 2.411 72 G HA2 -0.053 3.985 3.960 0.130 0.000 0.213 72 G HA3 -0.053 3.953 3.960 0.076 0.000 0.213 72 G C 1.033 176.001 174.900 0.114 0.000 1.166 72 G CA 0.984 46.143 45.100 0.098 0.000 0.802 72 G HN 0.396 8.487 8.290 0.064 0.238 0.533 73 L N 2.023 123.305 121.223 0.098 0.000 2.089 73 L HA -0.371 4.036 4.340 0.112 0.000 0.213 73 L C 1.582 178.494 176.870 0.071 0.000 1.079 73 L CA 3.184 58.075 54.840 0.086 0.000 0.758 73 L CB -0.304 41.786 42.059 0.051 0.000 0.891 73 L HN 0.267 8.546 8.230 0.082 0.000 0.433 74 Q N -3.729 116.105 119.800 0.056 0.000 2.541 74 Q HA -0.235 4.129 4.340 0.041 0.000 0.215 74 Q C 0.444 176.469 176.000 0.042 0.000 0.977 74 Q CA 1.554 57.383 55.803 0.043 0.000 0.934 74 Q CB 0.297 29.055 28.738 0.034 0.000 0.988 74 Q HN -0.602 7.589 8.270 0.055 0.111 0.521 75 K N -1.962 118.470 120.400 0.053 0.000 2.082 75 K HA 0.221 4.555 4.320 0.023 0.000 0.246 75 K C -2.443 174.186 176.600 0.049 0.000 1.061 75 K CA -1.278 55.030 56.287 0.035 0.000 0.952 75 K CB 2.374 34.886 32.500 0.020 0.000 1.513 75 K HN 0.125 8.233 8.250 0.072 0.186 0.631 76 K N -2.978 117.422 120.400 0.000 0.000 2.433 76 K HA 0.469 4.840 4.320 0.086 0.000 0.252 76 K C -1.513 174.932 176.600 -0.259 0.000 1.015 76 K CA -3.031 53.245 56.287 -0.020 0.000 0.860 76 K CB 0.022 32.511 32.500 -0.018 0.000 1.359 76 K HN -0.149 8.082 8.250 -0.031 0.000 0.452 77 P HA -0.327 2.402 4.420 -2.818 0.000 0.210 77 P C 1.543 178.483 177.300 -0.600 0.000 1.151 77 P CA 2.825 65.262 63.100 -1.105 0.000 0.949 77 P CB -0.142 31.294 31.700 -0.440 0.000 0.786 78 Q N -3.123 116.496 119.800 -0.302 0.000 2.443 78 Q HA -0.178 4.062 4.340 -0.168 0.000 0.213 78 Q C 1.293 177.203 176.000 -0.150 0.000 0.982 78 Q CA 2.227 57.921 55.803 -0.181 0.000 0.894 78 Q CB -0.850 27.820 28.738 -0.113 0.000 0.947 78 Q HN 0.520 8.648 8.270 -0.238 0.000 0.480 79 E N -4.241 115.862 120.200 -0.163 0.000 2.601 79 E HA 0.109 4.414 4.350 -0.076 0.000 0.219 79 E C -0.698 175.848 176.600 -0.090 0.000 0.964 79 E CA -0.890 55.452 56.400 -0.097 0.000 1.050 79 E CB 0.686 30.346 29.700 -0.066 0.000 1.068 79 E HN -0.552 7.619 8.360 -0.210 0.062 0.496 80 S N -0.350 115.260 115.700 -0.150 0.000 2.463 80 S HA -0.107 4.355 4.470 -0.012 0.000 0.241 80 S C -0.009 174.587 174.600 -0.007 0.000 1.299 80 S CA 0.829 58.993 58.200 -0.061 0.000 0.979 80 S CB 0.610 63.767 63.200 -0.071 0.000 0.950 80 S HN -0.560 7.473 8.310 -0.267 0.117 0.516 81 G N -0.636 108.197 108.800 0.054 0.000 4.412 81 G HA2 0.254 4.240 3.960 0.043 0.000 0.262 81 G HA3 0.254 4.233 3.960 0.032 0.000 0.262 81 G C -1.042 173.909 174.900 0.086 0.000 1.142 81 G CA -0.110 45.021 45.100 0.051 0.000 0.783 81 G HN 0.190 8.545 8.290 0.108 0.000 0.533 82 I N 0.238 120.880 120.570 0.120 0.000 3.550 82 I HA -0.297 3.948 4.170 0.126 0.000 0.295 82 I C 0.219 176.388 176.117 0.087 0.000 1.291 82 I CA -0.084 61.301 61.300 0.142 0.000 1.298 82 I CB 0.491 38.634 38.000 0.239 0.000 1.026 82 I HN 0.085 8.362 8.210 0.111 0.000 0.491 83 Q N -0.575 119.263 119.800 0.063 0.000 2.226 83 Q HA -0.319 4.049 4.340 0.047 0.000 0.204 83 Q C -0.104 175.917 176.000 0.035 0.000 0.975 83 Q CA 2.597 58.427 55.803 0.045 0.000 0.866 83 Q CB -1.079 27.680 28.738 0.034 0.000 0.915 83 Q HN 0.235 8.449 8.270 0.060 0.092 0.440 84 A N -0.529 122.312 122.820 0.035 0.000 1.844 84 A HA -0.119 4.213 4.320 0.020 0.000 0.212 84 A C 2.205 179.801 177.584 0.020 0.000 1.221 84 A CA 2.310 54.361 52.037 0.024 0.000 0.607 84 A CB 0.177 19.191 19.000 0.024 0.000 0.878 84 A HN -0.659 7.489 8.150 0.042 0.027 0.451 85 I N -1.061 119.522 120.570 0.022 0.000 2.181 85 I HA -0.509 3.662 4.170 0.001 0.000 0.247 85 I C 2.024 178.145 176.117 0.006 0.000 1.081 85 I CA 2.280 63.585 61.300 0.008 0.000 1.340 85 I CB -2.370 35.633 38.000 0.004 0.000 1.036 85 I HN -0.120 8.108 8.210 0.030 0.000 0.417 86 A N 0.202 123.034 122.820 0.020 0.000 2.054 86 A HA -0.472 3.890 4.320 0.009 -0.037 0.223 86 A C 1.928 179.515 177.584 0.005 0.000 1.169 86 A CA 3.173 55.220 52.037 0.016 0.000 0.655 86 A CB -1.309 17.709 19.000 0.030 0.000 0.812 86 A HN -0.152 8.031 8.150 0.033 -0.013 0.462 87 E N -1.332 118.872 120.200 0.007 0.000 2.171 87 E HA -0.442 3.909 4.350 0.002 0.000 0.197 87 E C 2.138 178.734 176.600 -0.007 0.000 0.997 87 E CA 2.872 59.273 56.400 0.001 0.000 0.810 87 E CB -0.223 29.479 29.700 0.003 0.000 0.738 87 E HN 0.978 9.094 8.360 0.011 0.251 0.467 88 A N -1.358 121.455 122.820 -0.011 0.000 2.015 88 A HA -0.264 4.040 4.320 -0.025 0.000 0.219 88 A C 1.648 179.213 177.584 -0.032 0.000 1.163 88 A CA 3.330 55.352 52.037 -0.024 0.000 0.646 88 A CB -0.621 18.360 19.000 -0.032 0.000 0.806 88 A HN 1.066 9.034 8.150 -0.007 0.178 0.448 89 V N 0.449 120.349 119.914 -0.024 0.000 2.233 89 V HA -0.489 3.602 4.120 -0.049 0.000 0.247 89 V C 1.788 177.866 176.094 -0.027 0.000 1.050 89 V CA 3.790 66.072 62.300 -0.030 0.000 1.010 89 V CB -0.248 31.570 31.823 -0.009 0.000 0.637 89 V HN -0.841 7.109 8.190 -0.014 0.232 0.444 90 R N -0.887 119.603 120.500 -0.015 0.000 2.082 90 R HA -0.395 3.938 4.340 -0.011 0.000 0.234 90 R C 2.490 178.779 176.300 -0.018 0.000 1.136 90 R CA 3.398 59.491 56.100 -0.013 0.000 0.935 90 R CB -0.207 30.089 30.300 -0.006 0.000 0.842 90 R HN -0.316 7.948 8.270 -0.010 0.000 0.430 91 K N -2.692 117.697 120.400 -0.018 0.000 2.044 91 K HA -0.246 4.064 4.320 -0.016 0.000 0.210 91 K C 2.421 179.004 176.600 -0.027 0.000 1.049 91 K CA 2.394 58.669 56.287 -0.020 0.000 0.927 91 K CB -0.094 32.395 32.500 -0.019 0.000 0.713 91 K HN -0.584 7.657 8.250 -0.016 0.000 0.443 92 R N -2.401 118.077 120.500 -0.037 0.000 2.151 92 R HA -0.203 4.110 4.340 -0.045 0.000 0.220 92 R C 1.468 177.741 176.300 -0.045 0.000 1.120 92 R CA 2.131 58.203 56.100 -0.048 0.000 0.882 92 R CB 0.185 30.445 30.300 -0.068 0.000 0.806 92 R HN -0.196 8.052 8.270 -0.037 0.000 0.440 93 N N -4.857 113.814 118.700 -0.048 0.000 2.381 93 N HA 0.152 4.874 4.740 -0.030 0.000 0.257 93 N C -1.239 174.253 175.510 -0.030 0.000 1.409 93 N CA -0.183 52.843 53.050 -0.039 0.000 0.836 93 N CB 1.275 39.734 38.487 -0.047 0.000 1.384 93 N HN -0.515 7.831 8.380 -0.056 0.000 0.490 94 D N -2.894 117.490 120.400 -0.026 0.000 2.946 94 D HA -0.435 4.199 4.640 -0.011 0.000 0.202 94 D C -1.887 174.403 176.300 -0.017 0.000 1.068 94 D CA 2.369 56.360 54.000 -0.015 0.000 1.011 94 D CB -0.189 40.607 40.800 -0.007 0.000 1.105 94 D HN 0.252 8.604 8.370 -0.029 0.000 0.425 95 L N -9.006 112.194 121.223 -0.038 0.000 2.479 95 L HA 0.463 4.786 4.340 -0.028 0.000 0.255 95 L C -2.326 174.479 176.870 -0.110 0.000 1.026 95 L CA -1.115 53.694 54.840 -0.051 0.000 0.842 95 L CB 2.934 44.969 42.059 -0.041 0.000 1.444 95 L HN -1.016 7.072 8.230 -0.048 0.114 0.409 96 L N -5.224 115.910 121.223 -0.149 0.000 3.154 96 L HA 0.002 4.154 4.340 -0.523 -0.125 0.228 96 L C -2.096 174.679 176.870 -0.160 0.000 0.975 96 L CA 0.426 55.075 54.840 -0.318 0.000 1.080 96 L CB 3.211 45.136 42.059 -0.223 0.000 1.501 96 L HN -0.161 8.007 8.230 -0.103 0.000 0.406 97 F N -1.650 118.209 119.950 -0.151 0.000 2.366 97 F HA 0.397 4.900 4.527 -0.032 0.004 0.357 97 F C -1.319 174.449 175.800 -0.053 0.000 1.107 97 F CA -2.874 55.089 58.000 -0.061 0.000 1.208 97 F CB -0.689 38.335 39.000 0.039 0.000 1.464 97 F HN 0.289 8.025 8.300 -0.785 0.093 0.501 98 I N 4.276 124.867 120.570 0.035 0.000 2.322 98 I HA 0.060 4.176 4.170 -0.089 0.000 0.292 98 I C -1.470 174.654 176.117 0.011 0.000 1.060 98 I CA -0.333 60.948 61.300 -0.032 0.000 1.309 98 I CB 0.763 38.734 38.000 -0.047 0.000 1.415 98 I HN 0.150 8.391 8.210 0.052 0.000 0.492 99 V N 9.753 129.640 119.914 -0.044 0.000 2.604 99 V HA 0.413 4.485 4.120 -0.079 0.000 0.305 99 V C -2.499 173.455 176.094 -0.234 0.000 1.043 99 V CA -2.628 59.600 62.300 -0.119 0.000 0.888 99 V CB 4.166 35.930 31.823 -0.097 0.000 0.995 99 V HN 0.278 8.421 8.190 -0.079 0.000 0.429 100 V N 7.856 127.551 119.914 -0.365 0.000 2.581 100 V HA 0.203 4.181 4.120 -0.236 0.000 0.303 100 V C -1.041 174.616 176.094 -0.729 0.000 1.041 100 V CA -1.594 60.507 62.300 -0.332 0.000 0.907 100 V CB 3.156 34.896 31.823 -0.139 0.000 0.994 100 V HN 0.230 8.157 8.190 -0.440 0.000 0.442 101 T N 3.729 118.004 114.554 -0.464 0.000 2.887 101 T HA 0.222 3.980 4.350 -0.986 0.000 0.288 101 T C -0.966 173.694 174.700 -0.068 0.000 1.021 101 T CA -2.114 59.718 62.100 -0.446 0.000 1.000 101 T CB 3.095 71.836 68.868 -0.212 0.000 1.034 101 T HN 0.512 8.593 8.240 -0.265 0.000 0.467 102 D N 3.893 124.387 120.400 0.158 0.000 2.325 102 D HA 0.068 4.760 4.640 0.088 0.000 0.262 102 D C -0.198 176.152 176.300 0.083 0.000 1.263 102 D CA -0.339 53.740 54.000 0.132 0.000 1.020 102 D CB 1.716 42.621 40.800 0.175 0.000 1.117 102 D HN 0.695 9.304 8.370 0.398 0.000 0.545 103 M N 1.567 121.208 119.600 0.068 0.000 3.596 103 M HA -0.033 4.464 4.480 0.028 0.000 0.212 103 M C -1.318 175.032 176.300 0.084 0.000 1.519 103 M CA -0.668 54.661 55.300 0.049 0.000 1.670 103 M CB -1.630 30.990 32.600 0.032 0.000 1.113 103 M HN 0.357 8.688 8.290 0.067 0.000 0.565 104 Q N 2.857 122.727 119.800 0.118 0.000 2.597 104 Q HA 0.121 4.558 4.340 0.162 0.000 0.227 104 Q C -2.221 173.902 176.000 0.204 0.000 0.803 104 Q CA -0.151 55.755 55.803 0.171 0.000 1.030 104 Q CB 2.093 30.936 28.738 0.174 0.000 1.559 104 Q HN 0.272 8.544 8.270 0.107 0.063 0.481 105 S N 4.362 120.174 115.700 0.187 0.000 2.580 105 S HA -0.168 4.377 4.470 0.126 0.000 0.266 105 S C -0.851 173.909 174.600 0.267 0.000 1.354 105 S CA 0.769 59.082 58.200 0.188 0.000 1.008 105 S CB 0.556 63.863 63.200 0.177 0.000 0.898 105 S HN 0.275 8.691 8.310 0.176 0.000 0.555 106 L N -1.208 120.166 121.223 0.253 0.000 4.670 106 L HA -0.091 4.391 4.340 0.236 0.000 0.226 106 L C -2.099 174.964 176.870 0.322 0.000 1.049 106 L CA 1.032 56.045 54.840 0.288 0.000 0.941 106 L CB 1.963 44.202 42.059 0.299 0.000 1.482 106 L HN -0.045 8.297 8.230 0.187 0.000 0.341 107 R N 5.629 126.281 120.500 0.253 0.000 2.291 107 R HA -0.083 4.399 4.340 0.237 0.000 0.333 107 R C -0.931 175.588 176.300 0.365 0.000 1.082 107 R CA 0.495 56.753 56.100 0.264 0.000 0.948 107 R CB -0.556 29.857 30.300 0.189 0.000 1.009 107 R HN 0.307 8.690 8.270 0.189 0.000 0.460 108 Y N 2.735 123.090 120.300 0.092 0.000 2.314 108 Y HA -0.198 4.385 4.550 0.055 0.000 0.293 108 Y C 0.215 176.164 175.900 0.081 0.000 1.129 108 Y CA 1.373 59.514 58.100 0.069 0.000 1.201 108 Y CB 0.194 38.688 38.460 0.057 0.000 0.999 108 Y HN -0.309 8.197 8.280 0.376 0.000 0.541 109 S N -3.052 112.824 115.700 0.294 0.000 2.607 109 S HA 0.077 4.661 4.470 0.191 0.000 0.303 109 S C -1.878 172.911 174.600 0.315 0.000 1.086 109 S CA -1.120 57.219 58.200 0.232 0.000 0.995 109 S CB 1.474 64.780 63.200 0.177 0.000 1.084 109 S HN -0.496 7.984 8.310 0.306 0.013 0.507 110 H N 1.394 120.561 119.070 0.163 0.000 2.917 110 H HA 0.226 5.219 4.556 0.401 -0.196 0.272 110 H C -2.105 173.294 175.328 0.118 0.000 1.228 110 H CA -0.682 55.481 56.048 0.191 0.000 1.614 110 H CB 1.797 31.552 29.762 -0.011 0.000 1.959 110 H HN 0.101 8.515 8.280 0.224 0.000 0.500 111 P HA -0.043 4.470 4.420 0.155 0.000 0.213 111 P C -0.871 176.630 177.300 0.334 0.000 1.170 111 P CA 1.327 64.572 63.100 0.243 0.000 0.893 111 P CB 0.652 32.435 31.700 0.139 0.000 0.784 112 E N -0.612 119.918 120.200 0.549 0.000 2.354 112 E HA 0.005 4.409 4.350 0.090 0.000 0.269 112 E C 0.206 176.745 176.600 -0.102 0.000 1.036 112 E CA -0.614 55.857 56.400 0.119 0.000 0.876 112 E CB 0.534 30.245 29.700 0.018 0.000 1.009 112 E HN -0.496 8.460 8.360 0.994 0.000 0.416 113 A N 4.328 127.097 122.820 -0.085 0.000 1.898 113 A HA -0.198 4.076 4.320 -0.077 0.000 0.214 113 A C 1.394 178.872 177.584 -0.177 0.000 1.183 113 A CA 2.841 54.816 52.037 -0.102 0.000 0.622 113 A CB 0.060 19.031 19.000 -0.048 0.000 0.824 113 A HN 0.395 8.520 8.150 -0.041 0.000 0.444 114 Q N -1.748 117.951 119.800 -0.170 0.000 2.124 114 Q HA -0.318 3.954 4.340 -0.114 0.000 0.202 114 Q C 2.028 177.891 176.000 -0.227 0.000 0.977 114 Q CA 2.440 58.150 55.803 -0.154 0.000 0.850 114 Q CB -0.484 28.193 28.738 -0.101 0.000 0.901 114 Q HN 0.224 8.412 8.270 -0.136 0.000 0.429 115 R N -1.897 118.356 120.500 -0.410 0.000 2.120 115 R HA -0.205 3.976 4.340 -0.266 0.000 0.234 115 R C 2.349 178.423 176.300 -0.376 0.000 1.123 115 R CA 1.839 57.664 56.100 -0.458 0.000 0.975 115 R CB -0.815 29.006 30.300 -0.799 0.000 0.866 115 R HN 0.148 8.113 8.270 -0.509 0.000 0.446 116 I N -0.729 119.618 120.570 -0.371 0.000 2.032 116 I HA -0.468 3.624 4.170 -0.130 0.000 0.228 116 I C 1.911 177.986 176.117 -0.070 0.000 1.030 116 I CA 3.387 64.595 61.300 -0.154 0.000 1.318 116 I CB -0.266 37.691 38.000 -0.072 0.000 1.049 116 I HN -0.706 7.206 8.210 -0.469 0.018 0.387 117 G N -2.665 106.098 108.800 -0.061 0.000 2.928 117 G HA2 -0.382 3.548 3.960 -0.050 0.000 0.223 117 G HA3 -0.382 3.567 3.960 -0.018 0.000 0.223 117 G C 0.228 175.118 174.900 -0.016 0.000 1.074 117 G CA 1.706 46.785 45.100 -0.036 0.000 0.703 117 G HN 0.249 8.494 8.290 -0.076 0.000 0.629 118 Q N 1.262 121.052 119.800 -0.018 0.000 1.967 118 Q HA 0.050 4.402 4.340 0.020 0.000 0.196 118 Q C -1.235 174.823 176.000 0.097 0.000 0.978 118 Q CA 0.754 56.569 55.803 0.021 0.000 0.833 118 Q CB -1.417 27.318 28.738 -0.005 0.000 0.898 118 Q HN -0.380 7.752 8.270 -0.056 0.104 0.446 119 P HA -0.247 4.265 4.420 0.154 0.000 0.255 119 P C -2.016 175.451 177.300 0.278 0.000 1.132 119 P CA 1.315 64.517 63.100 0.171 0.000 0.766 119 P CB -0.343 31.461 31.700 0.173 0.000 0.715 120 F N 3.183 123.164 119.950 0.051 0.000 2.740 120 F HA -0.115 4.439 4.527 0.046 0.000 0.312 120 F C -1.357 174.453 175.800 0.016 0.000 1.121 120 F CA 0.127 58.148 58.000 0.037 0.000 0.977 120 F CB 2.466 41.483 39.000 0.028 0.000 1.265 120 F HN -0.627 7.787 8.300 0.191 0.000 0.443 121 K N 1.098 120.831 120.400 -1.111 0.000 3.086 121 K HA -0.301 3.611 4.320 -0.680 0.000 0.288 121 K C -0.607 175.817 176.600 -0.294 0.000 1.127 121 K CA 0.856 56.734 56.287 -0.682 0.000 0.854 121 K CB -0.624 31.577 32.500 -0.498 0.000 1.213 121 K HN 0.345 7.623 8.250 -1.620 0.000 0.456 122 G N -1.419 107.258 108.800 -0.204 0.000 2.568 122 G HA2 -0.227 3.694 3.960 -0.065 0.000 0.220 122 G HA3 -0.227 3.701 3.960 -0.053 0.000 0.220 122 G C -0.723 174.071 174.900 -0.178 0.000 1.104 122 G CA 0.786 45.819 45.100 -0.112 0.000 0.738 122 G HN -0.134 7.902 8.290 -0.211 0.127 0.574 123 D N -3.886 116.375 120.400 -0.231 0.000 2.808 123 D HA -0.263 4.248 4.640 -0.216 0.000 0.195 123 D C 0.222 176.349 176.300 -0.288 0.000 1.057 123 D CA 1.935 55.804 54.000 -0.220 0.000 1.026 123 D CB -1.377 39.332 40.800 -0.151 0.000 1.115 123 D HN 0.241 8.351 8.370 -0.264 0.103 0.421 124 D N -2.102 118.044 120.400 -0.423 0.000 2.234 124 D HA -0.119 4.270 4.640 -0.418 0.000 0.205 124 D C 1.923 177.712 176.300 -0.851 0.000 0.962 124 D CA 2.432 56.027 54.000 -0.674 0.000 0.855 124 D CB -0.200 39.990 40.800 -1.017 0.000 0.951 124 D HN 0.302 8.308 8.370 -0.389 0.130 0.500 125 I N -4.301 115.818 120.570 -0.751 0.000 2.500 125 I HA -0.210 3.657 4.170 -0.505 0.000 0.252 125 I C 1.247 177.205 176.117 -0.265 0.000 1.142 125 I CA 2.976 63.995 61.300 -0.469 0.000 1.451 125 I CB -0.629 37.208 38.000 -0.271 0.000 1.093 125 I HN -0.374 7.432 8.210 -0.637 0.022 0.430 126 L N -1.292 119.786 121.223 -0.243 0.000 2.171 126 L HA -0.315 3.940 4.340 -0.140 0.000 0.216 126 L C 1.314 178.104 176.870 -0.132 0.000 1.084 126 L CA 3.247 57.989 54.840 -0.164 0.000 0.771 126 L CB -1.587 40.379 42.059 -0.155 0.000 0.890 126 L HN 0.201 8.172 8.230 -0.287 0.087 0.437 127 K N -3.097 117.213 120.400 -0.150 0.000 2.168 127 K HA -0.059 4.214 4.320 -0.078 0.000 0.201 127 K C 1.108 177.656 176.600 -0.087 0.000 1.049 127 K CA 1.307 57.533 56.287 -0.102 0.000 0.974 127 K CB -0.268 32.175 32.500 -0.095 0.000 0.792 127 K HN -0.729 7.356 8.250 -0.205 0.042 0.463 128 A N -0.190 122.566 122.820 -0.108 0.000 1.874 128 A HA -0.039 4.476 4.320 -0.052 -0.226 0.214 128 A C 2.164 179.696 177.584 -0.086 0.000 1.189 128 A CA 2.210 54.207 52.037 -0.067 0.000 0.615 128 A CB -0.218 18.782 19.000 -0.000 0.000 0.830 128 A HN -0.775 7.193 8.150 -0.166 0.082 0.443 129 L N -2.961 118.207 121.223 -0.091 0.000 2.085 129 L HA -0.432 3.864 4.340 -0.074 0.000 0.218 129 L C 0.164 176.983 176.870 -0.085 0.000 1.080 129 L CA 2.933 57.723 54.840 -0.082 0.000 0.776 129 L CB 0.035 42.045 42.059 -0.081 0.000 0.891 129 L HN 0.481 8.510 8.230 -0.113 0.134 0.437 130 N N -5.610 113.044 118.700 -0.076 0.000 2.279 130 N HA 0.037 4.745 4.740 -0.053 0.000 0.226 130 N C -0.437 175.043 175.510 -0.050 0.000 1.126 130 N CA -0.501 52.515 53.050 -0.056 0.000 0.846 130 N CB 0.966 39.429 38.487 -0.041 0.000 1.050 130 N HN -0.447 7.871 8.380 -0.080 0.015 0.502 131 G N 0.351 109.103 108.800 -0.081 0.000 3.292 131 G HA2 -0.327 3.625 3.960 -0.013 0.000 0.636 131 G HA3 -0.327 3.569 3.960 -0.107 0.000 0.636 131 G C -2.085 172.803 174.900 -0.020 0.000 1.069 131 G CA 0.316 45.383 45.100 -0.054 0.000 0.890 131 G HN 0.274 8.297 8.290 -0.108 0.202 0.427 132 E N 1.328 121.516 120.200 -0.021 0.000 2.720 132 E HA -0.057 4.304 4.350 0.017 0.000 0.298 132 E C -2.195 174.414 176.600 0.014 0.000 1.150 132 E CA -0.425 55.974 56.400 -0.000 0.000 0.921 132 E CB 2.663 32.353 29.700 -0.017 0.000 1.164 132 E HN -0.277 8.061 8.360 -0.037 0.000 0.447 133 E N 3.793 124.011 120.200 0.030 0.000 2.331 133 E HA 0.129 4.698 4.350 0.069 -0.177 0.272 133 E C -0.485 176.152 176.600 0.062 0.000 1.036 133 E CA -0.272 56.160 56.400 0.053 0.000 0.864 133 E CB 0.987 30.713 29.700 0.043 0.000 1.035 133 E HN 0.237 8.614 8.360 0.028 0.000 0.408 134 N N 3.352 122.127 118.700 0.125 0.000 2.555 134 N HA 0.119 4.903 4.740 0.074 0.000 0.265 134 N C -2.723 172.952 175.510 0.276 0.000 1.135 134 N CA -0.201 52.926 53.050 0.129 0.000 0.925 134 N CB 3.199 41.694 38.487 0.013 0.000 1.662 134 N HN 0.024 8.508 8.380 0.173 0.000 0.489 135 V N 1.431 121.465 119.914 0.200 0.000 3.007 135 V HA 0.718 5.171 4.120 0.298 -0.154 0.311 135 V C -2.214 173.987 176.094 0.179 0.000 1.120 135 V CA -2.869 59.554 62.300 0.205 0.000 0.980 135 V CB 3.230 35.102 31.823 0.083 0.000 1.033 135 V HN 0.113 8.376 8.190 0.122 0.000 0.429 136 A N 5.649 128.582 122.820 0.189 0.000 2.610 136 A HA 0.386 4.764 4.320 0.096 0.000 0.291 136 A C -2.378 175.278 177.584 0.121 0.000 1.086 136 A CA -0.874 51.250 52.037 0.145 0.000 0.677 136 A CB 2.918 22.022 19.000 0.173 0.000 1.278 136 A HN 0.574 8.834 8.150 0.183 0.000 0.414 137 I N -0.406 120.219 120.570 0.091 0.000 2.437 137 I HA 0.571 4.956 4.170 0.080 -0.167 0.298 137 I C -1.027 175.149 176.117 0.098 0.000 0.984 137 I CA -1.294 60.054 61.300 0.081 0.000 1.214 137 I CB 1.534 39.564 38.000 0.051 0.000 1.365 137 I HN 0.030 8.286 8.210 0.077 0.000 0.469 138 N N 4.867 123.639 118.700 0.119 0.000 2.443 138 N HA 0.153 4.954 4.740 0.103 0.000 0.293 138 N C -1.610 173.947 175.510 0.079 0.000 1.159 138 N CA -1.054 52.069 53.050 0.122 0.000 0.904 138 N CB 3.007 41.613 38.487 0.200 0.000 1.214 138 N HN 0.281 8.737 8.380 0.127 0.000 0.513 139 R N 1.466 121.991 120.500 0.042 0.000 2.631 139 R HA 0.325 4.670 4.340 0.008 0.000 0.289 139 R C -1.983 174.287 176.300 -0.049 0.000 1.303 139 R CA -0.139 55.958 56.100 -0.005 0.000 0.989 139 R CB 1.426 31.709 30.300 -0.029 0.000 1.208 139 R HN 0.382 8.673 8.270 0.036 0.000 0.461 140 G N 1.405 110.179 108.800 -0.043 0.000 2.672 140 G HA2 0.297 4.261 3.960 0.008 0.000 0.292 140 G HA3 0.297 4.158 3.960 -0.164 0.000 0.292 140 G C -1.142 173.718 174.900 -0.067 0.000 1.375 140 G CA -0.763 44.294 45.100 -0.071 0.000 0.890 140 G HN -0.128 8.248 8.290 0.000 -0.085 0.476 141 F N 1.358 121.321 119.950 0.022 0.000 2.512 141 F HA -0.356 4.187 4.527 0.026 0.000 0.406 141 F C 0.373 176.198 175.800 0.042 0.000 0.990 141 F CA 1.413 59.428 58.000 0.026 0.000 1.137 141 F CB 0.235 39.244 39.000 0.015 0.000 0.960 141 F HN -0.044 8.259 8.300 0.005 0.000 0.533 142 L N 0.035 121.364 121.223 0.176 0.000 5.272 142 L HA -0.431 3.975 4.340 0.109 0.000 0.439 142 L C -1.036 175.917 176.870 0.138 0.000 1.014 142 L CA 1.342 56.266 54.840 0.140 0.000 1.156 142 L CB -0.516 41.633 42.059 0.149 0.000 1.767 142 L HN -0.138 8.173 8.230 0.134 0.000 0.703 143 A N -2.685 120.219 122.820 0.141 0.000 2.169 143 A HA -0.018 4.647 4.320 0.243 -0.199 0.212 143 A C 0.164 177.843 177.584 0.159 0.000 1.153 143 A CA -0.219 51.925 52.037 0.178 0.000 0.756 143 A CB 0.687 19.771 19.000 0.141 0.000 0.813 143 A HN 0.099 8.105 8.150 0.128 0.220 0.471 144 Q N -1.260 118.593 119.800 0.089 0.000 2.520 144 Q HA -0.391 4.169 4.340 0.059 -0.185 0.320 144 Q C -0.574 175.482 176.000 0.093 0.000 1.104 144 Q CA 1.358 57.202 55.803 0.067 0.000 1.062 144 Q CB -0.522 28.235 28.738 0.031 0.000 1.005 144 Q HN -0.671 7.590 8.270 0.064 0.048 0.390 145 A N 3.809 126.695 122.820 0.110 0.000 2.610 145 A HA 0.252 4.595 4.320 0.039 0.000 0.291 145 A C -2.872 174.745 177.584 0.055 0.000 1.086 145 A CA -0.921 51.168 52.037 0.086 0.000 0.677 145 A CB 3.792 22.910 19.000 0.196 0.000 1.278 145 A HN -0.017 8.203 8.150 0.117 0.000 0.414 146 L N -0.216 120.996 121.223 -0.018 0.000 2.332 146 L HA 0.655 5.126 4.340 0.022 -0.118 0.269 146 L C -1.644 175.175 176.870 -0.086 0.000 1.016 146 L CA -1.485 53.342 54.840 -0.022 0.000 0.809 146 L CB 4.542 46.581 42.059 -0.034 0.000 1.280 146 L HN 0.139 8.334 8.230 -0.059 0.000 0.447 147 R N -0.841 119.618 120.500 -0.068 0.000 2.643 147 R HA 0.789 5.151 4.340 -0.249 -0.171 0.269 147 R C -2.177 174.005 176.300 -0.197 0.000 1.037 147 R CA -1.567 54.421 56.100 -0.186 0.000 0.894 147 R CB 3.570 33.766 30.300 -0.173 0.000 1.238 147 R HN 0.006 8.270 8.270 -0.009 0.000 0.459 148 V N -3.887 115.851 119.914 -0.293 0.000 3.093 148 V HA 0.823 5.030 4.120 -0.042 -0.113 0.320 148 V C -1.619 174.205 176.094 -0.450 0.000 1.093 148 V CA -3.263 58.915 62.300 -0.202 0.000 1.016 148 V CB 1.728 33.483 31.823 -0.114 0.000 1.096 148 V HN 0.107 8.098 8.190 -0.332 0.000 0.452 149 F N -0.680 119.250 119.950 -0.034 0.000 2.556 149 F HA 0.474 5.087 4.527 -0.046 -0.114 0.314 149 F C -0.674 175.096 175.800 -0.051 0.000 1.106 149 F CA -0.966 57.009 58.000 -0.042 0.000 0.911 149 F CB 4.274 43.251 39.000 -0.038 0.000 1.190 149 F HN -0.058 8.319 8.300 0.127 0.000 0.448 150 T N -1.107 113.512 114.554 0.108 0.000 2.883 150 T HA 0.485 4.856 4.350 0.035 0.000 0.301 150 T C -2.646 172.033 174.700 -0.035 0.000 1.158 150 T CA -3.054 59.059 62.100 0.022 0.000 1.007 150 T CB 1.281 70.140 68.868 -0.015 0.000 1.186 150 T HN 0.529 8.837 8.240 0.113 0.000 0.499 151 P HA 0.610 5.034 4.420 -0.204 -0.126 0.292 151 P C -1.625 175.394 177.300 -0.468 0.000 1.300 151 P CA -1.475 61.455 63.100 -0.285 0.000 0.900 151 P CB 2.419 33.903 31.700 -0.360 0.000 1.139 152 I N 0.757 121.058 120.570 -0.449 0.000 2.404 152 I HA 0.218 4.183 4.170 -0.341 0.000 0.293 152 I C -1.213 174.612 176.117 -0.486 0.000 0.992 152 I CA -0.909 60.160 61.300 -0.384 0.000 1.149 152 I CB 3.268 41.173 38.000 -0.159 0.000 1.315 152 I HN 0.916 8.815 8.210 -0.343 0.105 0.446 153 Y N 4.742 125.015 120.300 -0.045 0.000 2.361 153 Y HA 0.184 4.900 4.550 -0.056 -0.199 0.332 153 Y C -0.067 175.825 175.900 -0.014 0.000 1.101 153 Y CA -0.870 57.202 58.100 -0.047 0.000 1.137 153 Y CB 1.341 39.760 38.460 -0.069 0.000 1.207 153 Y HN 0.278 8.537 8.280 -0.034 0.000 0.463 154 D N 1.836 122.325 120.400 0.148 0.000 2.411 154 D HA -0.243 4.438 4.640 0.068 0.000 0.226 154 D C 0.054 176.414 176.300 0.100 0.000 0.988 154 D CA 1.690 55.746 54.000 0.094 0.000 0.938 154 D CB 0.775 41.620 40.800 0.075 0.000 0.883 154 D HN 0.674 9.025 8.370 0.150 0.109 0.525 155 E N -6.207 114.074 120.200 0.134 0.000 3.855 155 E HA -0.267 4.138 4.350 0.091 0.000 0.341 155 E C -1.652 174.990 176.600 0.070 0.000 0.773 155 E CA 0.812 57.266 56.400 0.090 0.000 1.318 155 E CB -1.948 27.790 29.700 0.063 0.000 1.664 155 E HN 0.548 8.917 8.360 0.207 0.115 0.388 156 N N -2.086 116.669 118.700 0.093 0.000 2.217 156 N HA 0.092 4.866 4.740 0.057 0.000 0.239 156 N C -1.470 174.123 175.510 0.139 0.000 1.330 156 N CA -0.171 52.929 53.050 0.084 0.000 0.838 156 N CB 0.791 39.324 38.487 0.078 0.000 1.287 156 N HN -0.198 8.224 8.380 0.133 0.038 0.498 157 H N -2.741 116.297 119.070 -0.052 0.000 3.211 157 H HA -0.311 3.848 4.556 -0.662 0.000 0.240 157 H C -1.642 173.786 175.328 0.167 0.000 1.148 157 H CA 1.059 57.004 56.048 -0.173 0.000 1.160 157 H CB -0.356 29.302 29.762 -0.173 0.000 1.232 157 H HN 0.040 8.349 8.280 0.048 0.000 0.321 158 K N -0.172 120.379 120.400 0.251 0.000 2.253 158 K HA 0.125 4.555 4.320 0.183 0.000 0.277 158 K C -0.920 175.788 176.600 0.179 0.000 1.053 158 K CA -1.274 55.130 56.287 0.194 0.000 0.892 158 K CB 0.242 32.815 32.500 0.122 0.000 1.102 158 K HN -0.228 8.082 8.250 0.217 0.070 0.469 159 Q N 4.827 124.685 119.800 0.097 0.000 2.271 159 Q HA -0.058 4.272 4.340 -0.283 -0.160 0.273 159 Q C 0.139 176.099 176.000 -0.065 0.000 1.051 159 Q CA 0.440 56.187 55.803 -0.094 0.000 0.901 159 Q CB -0.755 27.920 28.738 -0.106 0.000 1.174 159 Q HN 0.632 8.969 8.270 0.113 0.000 0.385 160 I N -1.727 118.786 120.570 -0.096 0.000 4.541 160 I HA 0.398 4.551 4.170 -0.028 0.000 0.337 160 I C -0.986 175.100 176.117 -0.053 0.000 1.338 160 I CA -0.432 60.841 61.300 -0.045 0.000 1.244 160 I CB 1.228 39.222 38.000 -0.009 0.000 1.417 160 I HN 0.830 8.833 8.210 -0.164 0.108 0.501 161 G N -0.902 107.840 108.800 -0.097 0.000 2.550 161 G HA2 0.303 4.225 3.960 -0.063 0.000 0.293 161 G HA3 0.303 4.237 3.960 -0.043 0.000 0.293 161 G C -3.314 171.522 174.900 -0.107 0.000 1.402 161 G CA 0.505 45.560 45.100 -0.076 0.000 0.784 161 G HN -0.807 7.391 8.290 -0.153 0.000 0.482 162 V N -1.105 118.762 119.914 -0.077 0.000 2.971 162 V HA 0.525 4.711 4.120 -0.090 -0.120 0.309 162 V C -2.130 173.921 176.094 -0.071 0.000 1.130 162 V CA -1.436 60.830 62.300 -0.057 0.000 0.964 162 V CB 5.461 37.295 31.823 0.019 0.000 1.029 162 V HN 0.244 8.394 8.190 -0.066 0.000 0.427 163 V N 6.398 126.273 119.914 -0.064 0.000 2.357 163 V HA 0.321 4.476 4.120 -0.140 -0.118 0.284 163 V C -1.978 174.042 176.094 -0.123 0.000 1.018 163 V CA -1.457 60.781 62.300 -0.103 0.000 0.841 163 V CB 1.648 33.416 31.823 -0.091 0.000 0.991 163 V HN 1.048 9.071 8.190 -0.047 0.138 0.437 164 A N 7.364 130.067 122.820 -0.195 0.000 2.330 164 A HA 0.997 5.181 4.320 -0.530 -0.182 0.329 164 A C -1.777 175.623 177.584 -0.306 0.000 1.135 164 A CA -2.838 48.954 52.037 -0.409 0.000 0.817 164 A CB 3.759 22.430 19.000 -0.548 0.000 1.269 164 A HN 0.489 8.530 8.150 -0.181 0.000 0.469 165 I N -1.266 119.087 120.570 -0.361 0.000 2.560 165 I HA 0.233 4.401 4.170 -0.227 -0.135 0.283 165 I C -1.175 174.718 176.117 -0.374 0.000 1.115 165 I CA -0.492 60.639 61.300 -0.283 0.000 1.066 165 I CB 3.237 41.102 38.000 -0.225 0.000 1.221 165 I HN -0.175 7.740 8.210 -0.493 0.000 0.450 166 G N 5.682 114.169 108.800 -0.521 0.000 2.370 166 G HA2 0.595 3.836 3.960 -1.199 0.000 0.317 166 G HA3 0.595 4.381 3.960 -0.552 -0.157 0.317 166 G C -2.444 171.663 174.900 -1.321 0.000 1.162 166 G CA -1.579 42.960 45.100 -0.935 0.000 0.922 166 G HN 0.290 8.213 8.290 -0.428 0.111 0.454 167 L N 4.916 125.696 121.223 -0.739 0.000 2.295 167 L HA 0.184 4.211 4.340 -0.521 0.000 0.288 167 L C -0.304 176.307 176.870 -0.432 0.000 1.079 167 L CA -1.417 53.113 54.840 -0.516 0.000 0.830 167 L CB 1.637 43.539 42.059 -0.261 0.000 1.200 167 L HN 0.322 8.249 8.230 -0.505 0.000 0.438 168 E N 7.799 127.767 120.200 -0.386 0.000 2.130 168 E HA -0.335 4.269 4.350 0.424 0.000 0.196 168 E C -0.213 176.420 176.600 0.055 0.000 0.998 168 E CA 2.135 58.581 56.400 0.078 0.000 0.806 168 E CB 0.328 30.092 29.700 0.106 0.000 0.738 168 E HN 0.281 8.352 8.360 -0.482 0.000 0.459 169 L N -4.638 116.571 121.223 -0.024 0.000 0.585 169 L HA -0.311 4.014 4.340 -0.024 0.000 0.356 169 L C -1.679 175.205 176.870 0.024 0.000 1.004 169 L CA 0.785 55.623 54.840 -0.004 0.000 1.223 169 L CB 0.568 42.636 42.059 0.014 0.000 0.012 169 L HN -0.332 7.819 8.230 -0.084 0.028 0.091 170 S N 0.648 116.357 115.700 0.016 0.000 7.325 170 S HA -0.037 4.452 4.470 0.031 0.000 0.057 170 S C -0.816 173.793 174.600 0.014 0.000 1.543 170 S CA -0.334 57.881 58.200 0.025 0.000 0.913 170 S CB -0.251 62.971 63.200 0.037 0.000 0.831 170 S HN -0.056 8.257 8.310 0.004 0.000 0.537 171 R N 3.767 124.274 120.500 0.012 0.000 3.147 171 R HA -0.115 4.230 4.340 0.008 0.000 0.230 171 R C -0.089 176.211 176.300 -0.001 0.000 1.549 171 R CA 2.190 58.293 56.100 0.006 0.000 1.025 171 R CB -1.070 29.233 30.300 0.005 0.000 1.180 171 R HN 0.376 8.655 8.270 0.015 0.000 0.575 172 V N -3.062 116.852 119.914 -0.000 0.000 3.304 172 V HA 0.128 4.244 4.120 -0.007 0.000 0.254 172 V C 0.585 176.678 176.094 -0.003 0.000 1.811 172 V CA 0.954 63.251 62.300 -0.006 0.000 1.006 172 V CB -0.039 31.776 31.823 -0.013 0.000 0.948 172 V HN 0.391 8.572 8.190 0.004 0.011 0.346 173 T N 3.628 118.183 114.554 0.002 0.000 2.564 173 T HA -0.606 3.745 4.350 0.003 0.000 0.264 173 T C 1.067 175.768 174.700 0.002 0.000 1.100 173 T CA 5.268 67.370 62.100 0.004 0.000 1.171 173 T CB -0.184 68.689 68.868 0.008 0.000 0.863 173 T HN -0.326 7.917 8.240 0.005 0.000 0.430 174 Q N 0.128 119.929 119.800 0.002 0.000 2.012 174 Q HA -0.494 3.847 4.340 0.002 0.000 0.211 174 Q C 2.468 178.467 176.000 -0.001 0.000 1.009 174 Q CA 4.331 60.135 55.803 0.001 0.000 0.866 174 Q CB -0.557 28.182 28.738 0.002 0.000 0.945 174 Q HN 0.511 8.783 8.270 0.004 0.000 0.414 175 Q N -2.754 117.044 119.800 -0.003 0.000 2.135 175 Q HA -0.311 4.026 4.340 -0.005 0.000 0.204 175 Q C 2.781 178.777 176.000 -0.006 0.000 0.981 175 Q CA 2.942 58.742 55.803 -0.005 0.000 0.856 175 Q CB -0.416 28.318 28.738 -0.008 0.000 0.902 175 Q HN 0.143 8.411 8.270 -0.003 0.000 0.425 176 I N -2.971 117.595 120.570 -0.006 0.000 2.394 176 I HA -0.318 3.846 4.170 -0.009 0.000 0.251 176 I C 1.530 177.644 176.117 -0.004 0.000 1.136 176 I CA 3.081 64.377 61.300 -0.007 0.000 1.425 176 I CB -0.132 37.864 38.000 -0.006 0.000 1.079 176 I HN 0.190 8.300 8.210 -0.005 0.097 0.425 177 N N -1.241 117.457 118.700 -0.002 0.000 2.220 177 N HA -0.119 4.621 4.740 -0.001 0.000 0.182 177 N C 1.110 176.619 175.510 -0.001 0.000 1.023 177 N CA 2.498 55.547 53.050 -0.001 0.000 0.856 177 N CB 0.408 38.895 38.487 0.001 0.000 0.997 177 N HN 0.003 8.269 8.380 -0.002 0.113 0.429 178 D N 0.005 120.404 120.400 -0.002 0.000 2.107 178 D HA -0.045 4.594 4.640 -0.001 0.000 0.204 178 D C 1.812 178.110 176.300 -0.003 0.000 0.978 178 D CA 2.314 56.313 54.000 -0.002 0.000 0.852 178 D CB -0.159 40.640 40.800 -0.001 0.000 1.008 178 D HN -0.361 8.008 8.370 -0.002 0.000 0.458 179 S N -0.566 115.132 115.700 -0.004 0.000 2.353 179 S HA -0.304 4.164 4.470 -0.004 0.000 0.222 179 S C 1.016 175.613 174.600 -0.005 0.000 1.035 179 S CA 1.267 59.465 58.200 -0.005 0.000 1.025 179 S CB 0.440 63.636 63.200 -0.006 0.000 0.902 179 S HN -0.260 8.048 8.310 -0.004 0.000 0.440 180 R N 0.000 120.497 120.500 -0.006 0.000 2.786 180 R HA 0.000 4.336 4.340 -0.006 0.000 0.208 180 R CA 0.000 56.097 56.100 -0.006 0.000 0.921 180 R CB 0.000 30.296 30.300 -0.007 0.000 0.687 180 R HN 0.000 8.266 8.270 -0.006 0.000 0.535